2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

C17H14BrN3O3 — CID 17341565

IUPAC2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C17H14BrN3O3/c18-12-6-8-14(9-7-12)24-11-16(22)19-15-10-17(23)21(20-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,20,22)
InChIKeyIRWHOYZRPXSOEE-UHFFFAOYSA-N
MW388.22 g/mol
LogP2.69
Rot. Bonds4

About 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide

2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (PubChem CID 17341565) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
PubChem CID17341565
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC Name2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C17H14BrN3O3/c18-12-6-8-14(9-7-12)24-11-16(22)19-15-10-17(23)21(20-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,20,22)
InChIKeyIRWHOYZRPXSOEE-UHFFFAOYSA-N
XLogP2.69
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

Analyze 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-nitrophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341580
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-thiophen-2-ylacetamide
CID 17341539
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
2-(3,4-dimethoxyphenyl)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341526
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
2-(4-bromophenoxy)-N-(4-pyrimidin-2-yloxyphenyl)acetamide
CID 55834611
2-[(4-methylphenyl)methylsulfanyl]-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide
CID 17341604
N-(1-benzylpyrazol-4-yl)-2-(4-bromophenoxy)acetamide
CID 55947961
N-(5-bromo-2-pyridinyl)-2-phenoxyacetamide
CID 780284
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712673
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide (CID 17341565) is 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is O=C(COc1ccc(Br)cc1)NC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
The InChIKey is IRWHOYZRPXSOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c18-12-6-8-14(9-7-12)24-11-16(22)19-15-10-17(23)21(20-15)13-4-2-1-3-5-13/h1-9H,10-11H2,(H,19,20,22).
What are the key properties of 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide?
2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide has a molecular weight of 388.22 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 17341565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).